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Atomic-orbital Based Ab-initio Computation at UStc
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source
source_estate
module_pot
pot_local_paw.h
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#ifndef POTLOCALPAW_H
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#define POTLOCALPAW_H
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#include "
source_base/matrix.h
"
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#include "
pot_base.h
"
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namespace
elecstate
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{
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class
PotLocal_PAW
:
public
PotBase
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{
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public
:
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PotLocal_PAW
()
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{
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this->
fixed_mode
=
true
;
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this->
dynamic_mode
=
false
;
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}
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void
cal_fixed_v
(
double
* vl_pseudo)
override
;
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};
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}
// namespace elecstate
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#endif
elecstate::PotBase
Definition
pot_base.h:22
elecstate::PotBase::dynamic_mode
bool dynamic_mode
Definition
pot_base.h:32
elecstate::PotBase::fixed_mode
bool fixed_mode
Definition
pot_base.h:31
elecstate::PotLocal_PAW
Definition
pot_local_paw.h:11
elecstate::PotLocal_PAW::cal_fixed_v
void cal_fixed_v(double *vl_pseudo) override
Definition
pot_local_paw.cpp:14
elecstate::PotLocal_PAW::PotLocal_PAW
PotLocal_PAW()
Definition
pot_local_paw.h:13
matrix.h
elecstate
Definition
cal_dm.h:10
pot_base.h
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